2-[bis[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2,2-dimethylpropanoate

C19H31NO6 — CID 138744841

IUPAC2-[bis[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2,2-dimethylpropanoate
SMILESC=C(C)C(=O)OCCN(CCOC(=O)C(=C)C)CCOC(=O)C(C)(C)C
InChIInChI=1S/C19H31NO6/c1-14(2)16(21)24-11-8-20(9-12-25-17(22)15(3)4)10-13-26-18(23)19(5,6)7/h1,3,8-13H2,2,4-7H3
InChIKeyYCBDSUAEERJIEA-UHFFFAOYSA-N
MW369.46 g/mol
LogP2.12
Rot. Bonds11

About 2-[bis[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2,2-dimethylpropanoate

2-[bis[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2,2-dimethylpropanoate (PubChem CID 138744841) has the molecular formula C19H31NO6 and a molecular weight of 369.46 g/mol. Its IUPAC name is 2-[bis[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-[bis[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2,2-dimethylpropanoate
PubChem CID138744841
Molecular FormulaC19H31NO6
Molecular Weight369.46 g/mol
Exact Mass369.22
IUPAC Name2-[bis[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2,2-dimethylpropanoate
SMILESC=C(C)C(=O)OCCN(CCOC(=O)C(=C)C)CCOC(=O)C(C)(C)C
InChIInChI=1S/C19H31NO6/c1-14(2)16(21)24-11-8-20(9-12-25-17(22)15(3)4)10-13-26-18(23)19(5,6)7/h1,3,8-13H2,2,4-7H3
InChIKeyYCBDSUAEERJIEA-UHFFFAOYSA-N
XLogP2.12
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-methylprop-2-enoyl-[2-[2-methylprop-2-enoyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl]amino]ethyl 2,2-dimethylpropanoate
CID 154988874
2-(diethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161237625
2-(dipentylamino)ethyl 2-methylprop-2-enoate
CID 54255314
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
CID 142905886
2-(2-methylprop-2-enoyloxy)ethyl 2-chloro-2-methylpropanoate
CID 20815885
3-[3,5-bis[3-(2-methylprop-2-enoyloxy)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propyl 2,2-dimethylpropanoate
CID 146653245
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
2-[2-ethoxyethyl(ethyl)amino]ethyl 2-methylprop-2-enoate
CID 88906932
2-[2-[2-(dipropylamino)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139824188
3-[bis(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate
CID 20603675
6-(2-methylprop-2-enoyloxy)hexyl 2-bromo-2-methylpropanoate
CID 59782884
[3-[3-[2-(diethylamino)ethoxy]-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659271

Frequently Asked Questions

What is the IUPAC name of 2-[bis[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-[bis[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2,2-dimethylpropanoate (CID 138744841) is 2-[bis[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-[bis[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-[bis[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2,2-dimethylpropanoate is C=C(C)C(=O)OCCN(CCOC(=O)C(=C)C)CCOC(=O)C(C)(C)C.
What is the InChIKey of 2-[bis[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2,2-dimethylpropanoate?
The InChIKey is YCBDSUAEERJIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO6/c1-14(2)16(21)24-11-8-20(9-12-25-17(22)15(3)4)10-13-26-18(23)19(5,6)7/h1,3,8-13H2,2,4-7H3.
What are the key properties of 2-[bis[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2,2-dimethylpropanoate?
2-[bis[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2,2-dimethylpropanoate has a molecular weight of 369.46 g/mol, XLogP of 2.12, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 138744841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).